NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8730 8.4545 109.7379 44.6898 0.0000 174.5656 *0 H 4.7097 7.7577 115.9428 53.9994 29.8742 174.4343 1 M 4.8537 8.6183 120.0554 55.6542 34.1014 175.0856 2 K 5.0930 9.1235 121.5493 54.5666 36.9849 174.8328 3 L 4.8378 8.9737 126.2513 53.9313 44.0330 175.0043 4 I 4.6868 8.6863 127.5444 59.9381 39.4789 174.5552 5 T 4.6112 8.2300 123.8975 61.3565 71.0874 172.9588 6 A 4.9005 8.8378 128.7464 50.0667 21.9311 174.7920 7 I 4.7994 8.8707 124.7193 60.0236 38.9647 175.4609 8 V 5.0139 8.4786 119.6358 59.0480 36.8978 175.4346 9 K 4.1666 8.2234 120.9596 55.7127 32.7126 176.9373 10 P 4.1995 0.0000 0.0000 65.5141 31.4140 178.2205 11 F 4.5450 7.5767 111.0150 58.3894 38.1721 176.2505 12 T 4.3124 7.4873 112.3227 62.0685 68.9564 176.0763 13 L 3.8667 7.5780 124.1565 58.7269 42.0301 178.4084 14 D 4.3834 8.0986 118.0077 57.5780 40.8234 178.4814 15 D 4.3503 8.0443 118.7911 57.2891 40.8350 178.8935 16 V 3.5509 7.9909 118.8764 65.7573 31.4900 177.8581 17 K 3.8505 8.3881 119.7991 59.8998 31.9397 178.7447 18 T 3.8521 8.1938 116.1572 66.8740 68.0753 176.7401 19 S 4.1243 8.1299 116.9138 61.5009 62.7276 176.9256 20 L 4.0195 8.1246 121.6687 57.9724 41.4513 179.4266 21 E 3.9673 8.4809 118.8691 59.5495 29.1501 179.2230 22 D 4.3046 8.3727 118.1015 56.8976 41.0064 176.9916 23 A 4.3867 7.5568 118.6646 51.3941 18.7727 177.1504 24 G 3.7771 7.8115 104.4099 47.0623 0.0000 174.7191 25 V 3.9257 7.9850 120.7369 61.3539 30.7728 175.4410 26 L 4.4884 8.2818 127.0957 54.1218 43.5913 177.0257 27 G 3.9076 8.7248 106.6307 45.6319 0.0000 173.5934 28 M 4.5423 7.8549 116.5086 55.5296 31.8827 175.5806 29 T 4.7780 8.6769 110.6204 59.9684 72.6606 172.7801 30 V 4.9815 8.1735 121.0357 61.4650 34.7399 174.5780 31 S 4.8457 8.8767 122.0216 56.5924 67.3569 173.2264 32 E 4.4989 8.7008 121.3003 56.6832 30.3558 175.9086 33 I 4.4886 8.2230 121.1427 60.1511 42.2000 172.9647 34 Q 4.9982 8.4693 124.8046 54.1231 31.5092 175.0160 35 G 4.0788 8.6367 109.4034 44.3882 0.0000 171.0811 36 Y 4.9126 8.9380 117.7659 58.4887 38.4415 176.2872 37 G 3.9692 8.5030 111.6912 47.0609 0.0000 175.0064 38 R 4.5238 8.5921 120.7482 55.0618 27.9064 171.3598 *54 D 3.9767 7.9205 122.9279 53.5925 42.6437 174.1683 55 F 5.5904 8.1515 123.6114 56.3499 41.2336 175.3774 56 V 4.6816 8.9971 114.1329 58.6705 35.7537 173.4713 57 P 4.8096 0.0000 0.0000 63.0473 32.0531 175.7334 58 K 4.7369 9.3779 122.3772 54.9760 37.3469 175.1219 59 V 4.7108 8.7662 113.3396 59.7685 35.6153 175.4726 60 R 4.8382 9.0714 124.7096 55.0339 31.7447 174.6193 61 I 4.8991 8.7074 128.6048 59.6704 39.6421 174.8586 62 E 5.6551 8.7652 125.5422 53.6135 33.2672 175.3685 63 V 4.7754 8.1164 115.3818 59.6104 36.5663 174.1562 64 V 4.7943 8.3376 123.1058 61.5049 32.9903 175.1925 65 V 4.6341 8.7340 120.2150 59.2475 36.6737 174.7198 66 D 4.8314 8.5703 121.6143 53.9923 41.4597 176.9767 67 D 4.5528 8.9643 125.4647 55.7105 39.0564 178.8327 68 S 4.2360 8.2996 116.0661 60.5323 63.1231 175.3431 69 I 4.3805 7.5520 113.9177 60.2033 37.9774 177.5588 70 V 3.5810 7.3098 121.3141 65.3489 31.0844 177.9426 71 D 4.3407 8.0551 119.3779 56.9271 40.7132 178.8707 72 K 4.0433 7.9684 118.7403 59.7063 32.6809 179.2796 73 V 3.5146 8.0298 119.7399 65.7002 31.3856 178.0116 74 V 3.5438 7.9241 118.1171 66.3381 31.3161 177.6946 75 D 4.3657 8.2017 118.6765 57.3402 40.6036 179.0404 76 S 4.1114 8.3660 115.0185 61.4086 63.0346 176.6703 77 I 3.6185 7.9398 123.6287 63.9802 37.0129 178.3837 78 V 3.5817 7.9543 119.2368 66.2895 31.1117 178.2410 79 R 3.9351 7.9697 116.0947 59.2961 29.9813 178.6988 80 A 4.1316 7.9973 119.2476 54.1950 18.5047 178.5910 81 A 4.3394 7.7644 117.3052 51.7351 20.0133 177.5736 82 R 4.2015 7.4203 118.2390 56.4870 30.6121 176.1940 83 T 4.4933 9.6662 113.6301 60.7131 70.4199 175.2103 84 G 3.9568 8.8266 109.5707 45.1329 0.0000 173.1200 85 K 4.5811 7.6032 118.8077 53.9755 34.2708 175.7277 86 I 3.7164 8.0882 120.9995 63.0405 38.1445 176.2455 87 G 4.0769 9.0146 114.4001 45.3588 0.0000 174.7135 88 D 4.3295 7.3818 118.8105 55.8209 41.3205 176.5673 89 G 4.3955 8.6556 103.6411 44.7871 0.0000 172.3625 90 K 4.8123 8.3573 116.2790 55.4809 36.4456 175.3626 91 V 5.0029 8.4941 121.1032 60.9641 34.0657 174.4467 92 W 5.2806 9.0678 124.2904 54.6681 32.0327 174.0439 93 V 5.0396 8.6748 120.1376 61.2715 33.5818 174.6921 94 S 5.0108 9.0439 121.0825 55.7608 66.8462 171.5152 95 P 4.7042 0.0000 0.0000 62.9420 32.1492 175.5807 96 V 4.2953 8.2095 122.2429 61.4700 32.7878 175.1874 97 D 4.5402 9.0364 128.6448 57.2292 41.0807 176.6775 98 T 4.7196 7.3472 105.4646 60.3186 71.7750 172.4282 99 I 4.6954 8.0305 121.7943 59.4959 41.8467 173.5955 100 V 4.8565 8.2528 127.6035 60.9727 34.3853 174.5473 101 R 4.1039 8.9770 129.2139 55.8368 29.9315 177.0117 102 V 3.5479 8.7311 126.8409 66.1382 31.9312 177.6990 103 R 3.9523 8.2150 118.2731 59.0644 29.8617 176.9143 104 T 4.2624 7.2953 102.1048 60.8445 70.1411 175.6704 105 G 3.9133 8.4624 109.4667 45.3058 0.0000 173.5073 106 E 4.0476 7.8693 119.4588 56.4997 30.1037 176.4098 107 R 5.1314 8.0870 119.9930 54.7484 35.0102 177.6118 108 G 3.7833 8.2234 108.7711 46.9395 0.0000 177.4657 109 H 4.2914 8.7777 118.5668 58.1117 28.5388 177.1919 110 D 4.2494 7.5640 118.8188 56.2199 40.6788 176.7709 111 A 4.4280 7.6272 120.1940 52.1163 19.6187 177.0613 112 L 4.1746 7.4245 120.5398 54.8661 41.6023 176.8784 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 G 8.45 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 H 7.76 4.71 0.00 2.69 3.05 0.00 7.18 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.62 4.85 0.00 1.93 2.22 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 2 K 9.12 5.09 0.00 1.58 1.63 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 L 8.97 4.84 0.00 1.71 1.51 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.69 4.69 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.41 0.79 0.00 0.00 5 T 8.23 4.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 6 A 8.84 4.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.87 4.80 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.93 0.00 0.00 8 V 8.48 5.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.84 0.00 0.00 9 K 8.22 4.17 0.00 1.04 0.74 0.00 1.63 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.33 7.81 10 P 0.00 4.20 0.00 2.20 2.09 0.00 3.50 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 11 F 7.58 4.55 0.00 3.12 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.49 4.31 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 13 L 7.58 3.87 0.00 1.84 1.77 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.10 4.38 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.04 4.35 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.99 3.55 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 17 K 8.39 3.85 0.00 1.90 1.95 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 18 T 8.19 3.85 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 19 S 8.13 4.12 0.00 4.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.12 4.02 0.00 1.82 1.86 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.48 3.97 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 22 D 8.37 4.30 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.56 4.39 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.99 3.93 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 26 L 8.28 4.49 0.00 1.65 1.56 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.72 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.85 4.54 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 29 T 8.68 4.78 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 30 V 8.17 4.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 31 S 8.88 4.85 0.00 3.73 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.70 4.50 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 33 I 8.22 4.49 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.86 0.00 0.00 34 Q 8.47 5.00 0.00 1.58 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 35 G 8.64 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.94 4.91 0.00 2.97 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.50 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.59 4.52 0.00 1.60 1.75 0.00 3.30 0.00 0.00 3.15 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.18 0.00 *54 D 7.92 3.98 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.15 5.59 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 9.00 4.68 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.07 0.00 0.00 57 P 0.00 4.81 0.00 1.95 1.99 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 58 K 9.38 4.74 0.00 1.55 1.78 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.55 7.81 59 V 8.77 4.71 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.89 0.00 0.00 60 R 9.07 4.84 0.00 1.78 1.75 0.00 3.04 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 61 I 8.71 4.90 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.39 0.84 0.00 0.00 62 E 8.77 5.66 0.00 1.81 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 63 V 8.12 4.78 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.87 0.00 0.00 64 V 8.34 4.79 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 65 V 8.73 4.63 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.91 0.00 0.00 66 D 8.57 4.83 0.00 2.75 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.96 4.55 0.00 2.97 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.30 4.24 0.00 4.06 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.55 4.38 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.65 0.91 0.00 0.00 70 V 7.31 3.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 71 D 8.06 4.34 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.97 4.04 0.00 1.98 2.06 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.48 7.81 73 V 8.03 3.51 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 74 V 7.92 3.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.93 0.00 0.00 75 D 8.20 4.37 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.37 4.11 0.00 4.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.94 3.62 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.86 0.00 0.00 78 V 7.95 3.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 79 R 7.97 3.94 0.00 1.96 1.99 0.00 3.22 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 80 A 8.00 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.76 4.34 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.42 4.20 0.00 1.98 1.86 0.00 3.22 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 83 T 9.67 4.49 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 84 G 8.83 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.60 4.58 0.00 1.93 1.77 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.39 7.81 86 I 8.09 3.72 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.96 0.00 0.00 87 G 9.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.38 4.33 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.66 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.36 4.81 0.00 1.95 1.96 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.80 7.81 91 V 8.49 5.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 92 W 9.07 5.28 0.00 3.33 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.67 5.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 94 S 9.04 5.01 0.00 3.99 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.70 0.00 2.12 2.11 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 96 V 8.21 4.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 97 D 9.04 4.54 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.35 4.72 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 99 I 8.03 4.70 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.38 0.91 0.00 0.00 100 V 8.25 4.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 101 R 8.98 4.10 0.00 1.90 1.78 0.00 3.14 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 102 V 8.73 3.55 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.92 0.00 0.00 103 R 8.22 3.95 0.00 1.80 1.95 0.00 3.25 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 7.30 4.26 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 105 G 8.46 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.87 4.05 0.00 2.06 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 107 R 8.09 5.13 0.00 1.80 1.77 0.00 3.27 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 108 G 8.22 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.78 4.29 0.00 3.31 3.57 0.00 5.46 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.56 4.25 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.63 4.43 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.42 4.17 0.00 1.81 1.60 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.